SCHEMBL21101555

SCHEMBL21101555

C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PREP P48147 13/20 0.75
FAP Q12884 8/20 0.55
DPP7 Q9UHL4 2/20 0.55
DPP9 Q86TI2 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26763770 0.87 PREP (0.61) PREPFAPDPP7DPP9
SCHEMBL26223829 0.86 PREP (0.74) PREPFAPDPP7
SCHEMBL21101376 0.86 PREP (0.74) PREPFAPDPP7
SCHEMBL15129856 0.86 PREP (1.00) PREPFAPDPP7DPP9
SCHEMBL15129855 0.86 PREP (1.00) PREPFAPDPP7DPP9
SCHEMBL21101556 0.82 PREP (0.66) PREPFAPDPP9
SCHEMBL26763766 0.81 PREP (0.58) PREPFAPDPP7
SCHEMBL26231103 0.81 PREP (0.77) PREPFAPDPP7DPP9
SCHEMBL24928039 0.79 PREP (0.57) PREPFAPDPP7DPP9
SCHEMBL25474208 0.79 PREP (0.64) PREPFAPDPP7DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed